2-(5-Chloro-1,2-benzothiazol-3-yl)acetic acid
TL;DR: 2-(5-Chloro-1,2-benzothiazol-3-yl)acetic acid (CAS 34173-21-2) is a chemical compound with molecular formula C9H6ClNO2S and molecular weight 226.98 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(5-chloro-1,2-benzothiazol-3-yl)acetic acid
Also Known As: 1,2-Benzisothiazole-3-acetic acid, 5-chloro-, 2-(5-chloro-1,2-benzothiazol-3-yl)acetic acid, 5-Chloro-1,2-benzisothiazole-3-acetic acid
| Molecular Formula | C9H6ClNO2S |
|---|---|
| Molecular Weight | 226.98 g/mol |
| LogP | 2.5768 |
| Topological Polar Surface Area | 50.19 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 226.98077 |
| Heavy Atoms | 14 |
| Complexity | 494.51764 |
Chemical Identifiers
| CAS Number | 34173-21-2 |
|---|---|
| SMILES | C1=CC2=C(C=C1Cl)C(=NS2)CC(=O)O |
Product Overview
2-(5-Chloro-1,2-benzothiazol-3-yl)acetic acid (CAS 34173-21-2), with molecular formula C9H6ClNO2S and molecular weight 226.98 g/mol. IUPAC: 2-(5-chloro-1,2-benzothiazol-3-yl)acetic acid.
Chemical Property Profile of 2-(5-Chloro-1,2-benzothiazol-3-yl)acetic acid
Property Insights of 2-(5-Chloro-1,2-benzothiazol-3-yl)acetic acid
The XLogP value of 2.5768 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-(5-Chloro-1,2-benzothiazol-3-yl)acetic acid. With a topological polar surface area (TPSA) of 50.19 Ų, 2-(5-Chloro-1,2-benzothiazol-3-yl)acetic acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-(5-Chloro-1,2-benzothiazol-3-yl)acetic acid has 1 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 2-(5-Chloro-1,2-benzothiazol-3-yl)acetic acid?
The CAS number of 2-(5-Chloro-1,2-benzothiazol-3-yl)acetic acid is 34173-21-2.
What is the molecular formula of 2-(5-Chloro-1,2-benzothiazol-3-yl)acetic acid?
The molecular formula of 2-(5-Chloro-1,2-benzothiazol-3-yl)acetic acid is C9H6ClNO2S.
What is the molecular weight of 2-(5-Chloro-1,2-benzothiazol-3-yl)acetic acid?
The molecular weight of 2-(5-Chloro-1,2-benzothiazol-3-yl)acetic acid is 226.98 g/mol.
Where can I buy 2-(5-Chloro-1,2-benzothiazol-3-yl)acetic acid?
You can request a quote for 2-(5-Chloro-1,2-benzothiazol-3-yl)acetic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(5-Chloro-1,2-benzothiazol-3-yl)acetic acid?
Yes, KEHONG BIO provides custom synthesis services for 2-(5-Chloro-1,2-benzothiazol-3-yl)acetic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.